SCHEMBL3264950

SCHEMBL3264950

Cc1cc(Nc2cc(N3CCCC(NC(=O)c4ccc(C(C)(C)C)cc4)C3)cc3[nH]cnc23)nn1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.50
LCK P06239 2/20 0.43
JAK3 P52333 2/20 0.43
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.40
SYK P43405 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3264947 1.00 BTK (0.50) BTKLCKJAK3EGFRKMT2A
SCHEMBL13303594 0.86 BTK (0.46) BTKLCKJAK3EGFRKMT2A
SCHEMBL2490830 0.80 BTK (0.47) BTKLCKJAK3EGFRKMT2A
SCHEMBL2490832 0.80 BTK (0.47) BTKLCKJAK3EGFRKMT2A
SCHEMBL2531656 0.79 BTK (0.45) BTKLCKJAK3EGFRKMT2A
SCHEMBL2533354 0.79 BTK (0.45) BTKLCKJAK3EGFRKMT2A
SCHEMBL9985402 0.79 BTK (0.45) BTKLCKJAK3EGFRKMT2A
SCHEMBL3263603 0.78 BTK (0.46) BTKLCKJAK3EGFRKMT2A
SCHEMBL3263610 0.78 BTK (0.46) BTKLCKJAK3EGFRKMT2A
SCHEMBL12025078 0.77 SYK (0.49) BTKLCKJAK3EGFRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed